Glycoside
GD148517
Name:
Jadomycin HseFormula:
C29H28O10Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCO)C1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCO)C1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.53 | Num_heavy_atoms: | 39 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD59429
Formula: C23H18O7
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCO)C1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.39 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
